Information card for entry 7121567

Structure parameters

• Formula: C23 H19 F6 N4 P Pd
• Calculated formula: C23 H19 F6 N4 P Pd
• Title of publication: Palladium(ii) N-heterocyclic allenylidene complexes with extended intercationic PdPd interactions and MMLCT phosphorescence.
• Authors of publication: Zou, Chao; Lin, Jinqiang; Suo, Sa; Xie, Mo; Chang, Xiaoyong; Lu, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 5319 - 5322
• a: 8.2664 ± 0.0011 Å
• b: 11.968 ± 0.0015 Å
• c: 12.4012 ± 0.0016 Å
• α: 73.332 ± 0.004°
• β: 73.511 ± 0.004°
• γ: 74.085 ± 0.004°
• Cell volume: 1101.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No